7-(3-azanylpyrrolidin-1-yl)-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid hydrate hydrochloride

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid hydrate hydrochloride Openeye Name: 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrate hydrochloride CAS Name: 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrate hydrochloride IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrate hydrochloride Traditional Name: 7-(3-aminopyrrolidino)-1-(2,4-difluorophenyl)-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid hydrate hydrochloride Formula: C19H18ClF3N4O4 MolecularWeight: 458.81883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O.Cl

Isomeric SMILES

C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O.Cl

InChI

InChI=1S/C19H15F3N4O3.ClH.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);1H;1H2